SCHEMBL5635159

SCHEMBL5635159

CC(C)(C)OC(=O)N1CCC2C(C1)c1cc(-c3c(F)cccc3F)cc3c1N2CCCO3

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.42
HTR2C P28335 4/20 0.40
GPR119 Q8TDV5 3/20 0.38
HTR2A P28223 3/20 0.37
DRD2 P14416 2/20 0.37
MAPT P10636 4/20 0.37
HTR1A P08908 1/20 0.36
DRD4 P21917 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5636040 0.89 USP30 (0.46) USP30HTR2CGPR119HTR2ADRD2
SCHEMBL5636694 0.88 USP30 (0.53) USP30GPR119MAPT
SCHEMBL5636742 0.85 USP30 (0.41) USP30GPR119MAPTLMNATP53
SCHEMBL5847223 0.85 HTR2C (0.41) USP30HTR2CGPR119HTR2ADRD2
SCHEMBL5636575 0.85 USP30 (0.44) USP30GPR119MAPTTP53THRB
SCHEMBL5847122 0.85 HTR2C (0.41) USP30HTR2CGPR119HTR2ADRD2
SCHEMBL5847563 0.85 HTR2C (0.41) USP30HTR2CGPR119HTR2ADRD2
SCHEMBL5635971 0.85 USP30 (0.47) USP30HTR2CHTR2ADRD2MAPT
SCHEMBL5637616 0.85 USP30 (0.43) USP30HTR2CGPR119HTR2AMAPT
SCHEMBL5636680 0.85 USP30 (0.43) USP30MAPTLMNATP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39679-E1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-06-05 US disclosed
US-6713471-B1 SUCH AS TERT-BUTYL-1-METHYL-6,7,9,12-TETRAHYDRO-5H-PYRIDO-(4,3-B)(1,4) THIAZEPINO(2,3,4-HI)INDOLE-11(10H)-CARBOXYLATE; SEROTONIN AGONISTS AND ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-30 US disclosed